General Information of the Compound
| Compound ID |
CP0552919
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| Compound Name |
1-(2-oxo-1H-quinolin-5-yl)-3-[[2-piperidin-1-yl-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
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| Formula |
C22H22F3N5O2
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| Molecular Weight |
445.445
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| Canonical SMILES |
FC(F)(F)c1ccc(CNC(=O)Nc2cccc3[nH]c(=O)ccc23)c(n1)N1CCCCC1
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| InChI |
InChI=1S/C22H22F3N5O2/c23-22(24,25)18-9-7-14(20(29-18)30-11-2-1-3-12-30)13-26-21(32)28-17-6-4-5-16-15(17)8-10-19(31)27-16/h4-10H,1-3,11-13H2,(H,27,31)(H2,26,28,32)
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| InChIKey |
GPTRLLZNVUQBQI-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound